CID 34722

29839-66-5

Structural Information

Molecular Formula
C9H18O2
SMILES
CC(C)C1C(CC(O1)(C)C)O
InChI
InChI=1S/C9H18O2/c1-6(2)8-7(10)5-9(3,4)11-8/h6-8,10H,5H2,1-4H3
InChIKey
WMKJJVTWUQFUCF-UHFFFAOYSA-N
Compound name
5,5-dimethyl-2-propan-2-yloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.13068 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.137956 134.4
[M+Na]+ 181.119898 141.8
[M-H]- 157.123404 137.5
[M+NH4]+ 176.164503 157.6
[M+K]+ 197.093838 142.1
[M+H-H2O]+ 141.127940 131.2
[M+HCOO]- 203.128881 153.7
[M+CH3COO]- 217.144531 176.2
[M+Na-2H]- 179.105346 137.8
[M]+ 158.13013142 134.1
[M]- 158.13122858 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.